4-(2,7-dipyridin-3-ylcarbazol-9-yl)-2-methylisoindole-1,3-dione;ethane

C33H26N4O2 — CID 142280558

About 4-(2,7-dipyridin-3-ylcarbazol-9-yl)-2-methylisoindole-1,3-dione;ethane

4-(2,7-dipyridin-3-ylcarbazol-9-yl)-2-methylisoindole-1,3-dione;ethane (PubChem CID 142280558) has the molecular formula C33H26N4O2 and a molecular weight of 510.60 g/mol. Its IUPAC name is 4-(2,7-dipyridin-3-ylcarbazol-9-yl)-2-methylisoindole-1,3-dione;ethane.

Molecular Properties

• Compound Name: 4-(2,7-dipyridin-3-ylcarbazol-9-yl)-2-methylisoindole-1,3-dione;ethane
• PubChem CID: 142280558
• Molecular Formula: C33H26N4O2
• Molecular Weight: 510.60 g/mol
• Exact Mass: 510.21
• IUPAC Name: 4-(2,7-dipyridin-3-ylcarbazol-9-yl)-2-methylisoindole-1,3-dione;ethane
• SMILES: CC.CN1C(=O)c2cccc(-n3c4cc(-c5cccnc5)ccc4c4ccc(-c5cccnc5)cc43)c2C1=O
• InChI: InChI=1S/C31H20N4O2.C2H6/c1-34-30(36)25-7-2-8-26(29(25)31(34)37)35-27-15-19(21-5-3-13-32-17-21)9-11-23(27)24-12-10-20(16-28(24)35)22-6-4-14-33-18-22;1-2/h2-18H,1H3;1-2H3
• InChIKey: IKZFWPAGOFFCEE-UHFFFAOYSA-N
• XLogP: 7.16
• TPSA: 68.09 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.60
LogP ≤ 5	7.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(2,7-dipyridin-3-ylcarbazol-9-yl)-2-methylisoindole-1,3-dione;ethane?

The IUPAC name of 4-(2,7-dipyridin-3-ylcarbazol-9-yl)-2-methylisoindole-1,3-dione;ethane (CID 142280558) is 4-(2,7-dipyridin-3-ylcarbazol-9-yl)-2-methylisoindole-1,3-dione;ethane.

What is the SMILES notation for 4-(2,7-dipyridin-3-ylcarbazol-9-yl)-2-methylisoindole-1,3-dione;ethane?

The canonical SMILES for 4-(2,7-dipyridin-3-ylcarbazol-9-yl)-2-methylisoindole-1,3-dione;ethane is CC.CN1C(=O)c2cccc(-n3c4cc(-c5cccnc5)ccc4c4ccc(-c5cccnc5)cc43)c2C1=O.

What is the InChIKey of 4-(2,7-dipyridin-3-ylcarbazol-9-yl)-2-methylisoindole-1,3-dione;ethane?

The InChIKey is IKZFWPAGOFFCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20N4O2.C2H6/c1-34-30(36)25-7-2-8-26(29(25)31(34)37)35-27-15-19(21-5-3-13-32-17-21)9-11-23(27)24-12-10-20(16-28(24)35)22-6-4-14-33-18-22;1-2/h2-18H,1H3;1-2H3.

What are the key properties of 4-(2,7-dipyridin-3-ylcarbazol-9-yl)-2-methylisoindole-1,3-dione;ethane?

4-(2,7-dipyridin-3-ylcarbazol-9-yl)-2-methylisoindole-1,3-dione;ethane has a molecular weight of 510.60 g/mol, XLogP of 7.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,7-dipyridin-3-ylcarbazol-9-yl)-2-methylisoindole-1,3-dione;ethane is sourced from PubChem (CID 142280558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).